4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine

C14H21NO4S — CID 47304289

IUPAC4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)c(C)c1
InChIInChI=1S/C14H21NO4S/c1-10-7-13(18-4)5-6-14(10)20(16,17)15-8-11(2)19-12(3)9-15/h5-7,11-12H,8-9H2,1-4H3
InChIKeyTTYUWWFNLLTCPF-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.80
Rot. Bonds3

About 4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine

4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 47304289) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID47304289
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)c(C)c1
InChIInChI=1S/C14H21NO4S/c1-10-7-13(18-4)5-6-14(10)20(16,17)15-8-11(2)19-12(3)9-15/h5-7,11-12H,8-9H2,1-4H3
InChIKeyTTYUWWFNLLTCPF-UHFFFAOYSA-N
XLogP1.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 19682685
4-(4-methoxy-2-methylphenyl)sulfonyl-2,2,6-trimethylmorpholine
CID 48629627
1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine
CID 110290267
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611
1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 119981951
4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 3154510
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine
CID 110658354
4-(2-methoxy-5-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2933021
(2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine
CID 7177601
4-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-6-phenylmorpholine
CID 110369024
(2R,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510211
(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510214

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine (CID 47304289) is 4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine is COc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is TTYUWWFNLLTCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-10-7-13(18-4)5-6-14(10)20(16,17)15-8-11(2)19-12(3)9-15/h5-7,11-12H,8-9H2,1-4H3.
What are the key properties of 4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 299.39 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 47304289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).